KEGG   COMPOUND: C13871
Entry
C13871                      Compound                               
Name
1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol
Formula
C45H74O10
Exact mass
774.5282
Mol weight
775.0631
Structure
Brite
Lipids [BR:br08002]
 GL  Glycerolipids
  GL05 Glycosyldiradylglycerols
   GL0501 Glycosyldiacylglycerols
    C13871  1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol
Other DBs
PubChem: 854116
ChEBI: 34042
3DMET: B05659
NIKKAJI: J362.286J
LinkDB
KCF data

ATOM        55
            1   O7a O    22.2843  -16.3298
            2   C1c C    20.9434  -16.3298
            3   C1b C    20.9434  -17.9481
            4   C1b C    20.9434  -14.8963
            5   O7a O    22.3306  -17.9481
            6   C2b C    33.1503  -18.6416
            7   C1b C    31.9481  -17.9481
            8   C1b C    30.6996  -18.6416
            9   C1b C    29.4975  -17.9481
            10  C1b C    28.2953  -18.6416
            11  C1b C    27.1393  -17.9481
            12  C1b C    25.9372  -18.6416
            13  C1b C    24.7349  -17.9481
            14  C7a C    23.5327  -18.6416
            15  O6a O    23.5327  -20.0288
            16  C2b C    34.5375  -18.6416
            17  C1b C    35.7396  -17.9481
            18  C2b C    36.9418  -18.6416
            19  C2b C    38.3289  -18.6416
            20  C1b C    39.4849  -17.9481
            21  C2b C    40.6871  -18.6416
            22  C2b C    42.1205  -18.6416
            23  C1b C    43.3226  -17.9481
            24  C1a C    44.5249  -18.6416
            25  C1y C    15.3949  -15.0813
            26  C1y C    15.3949  -16.4685
            27  O2x O    16.5970  -14.3877
            28  C1b C    14.1926  -14.3877
            29  C1y C    16.5970  -17.1620
            30  O1a O    14.1926  -17.1620
            31  C1y C    17.7992  -15.0813
            32  O1a O    13.1291  -15.2663
            33  C1y C    17.7992  -16.4685
            34  O1a O    16.5970  -18.5492
            35  O2a O    19.4176  -14.3877
            36  O1a O    19.0014  -17.1620
            37  C7a C    23.4865  -15.6362
            38  C2b C    33.1965  -15.6362
            39  C1b C    31.9943  -16.2835
            40  C1b C    30.7459  -15.6362
            41  C1b C    29.4975  -16.2835
            42  C1b C    28.2953  -15.6362
            43  C1b C    27.0930  -16.2835
            44  C1b C    25.8909  -15.6362
            45  C1b C    24.6887  -16.2835
            46  C2b C    34.5836  -15.6362
            47  C1b C    35.7859  -16.2835
            48  C2b C    36.9880  -15.6362
            49  C2b C    38.3752  -15.6362
            50  C1b C    39.5774  -16.2835
            51  C2b C    40.8258  -15.6362
            52  C2b C    42.2592  -15.6362
            53  C1b C    43.4614  -16.2835
            54  C1a C    44.6636  -15.6362
            55  O6a O    23.4662  -14.2492
BOND        55
            1     2   1 1
            2     2   3 1
            3     2   4 1
            4     3   5 1
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     9  10 1
            9    10  11 1
            10   11  12 1
            11   12  13 1
            12   13  14 1
            13   14   5 1
            14   14  15 2
            15    6  16 2
            16   16  17 1
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   20  21 1
            21   21  22 2
            22   22  23 1
            23   23  24 1
            24   25  26 1
            25   25  27 1
            26   25  28 1 #Up
            27   26  29 1
            28   26  30 1 #Up
            29   27  31 1
            30   28  32 1
            31   29  33 1
            32   29  34 1 #Up
            33   31  35 1 #Up
            34   33  36 1 #Down
            35   31  33 1
            36    4  35 1
            37    1  37 1
            38   38  39 1
            39   39  40 1
            40   40  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   44  45 1
            45   45  37 1
            46   38  46 2
            47   46  47 1
            48   47  48 1
            49   48  49 2
            50   49  50 1
            51   50  51 1
            52   51  52 2
            53   52  53 1
            54   53  54 1
            55   37  55 2

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